Basic information
- CAS
6361-49-5- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12)c1ccccc1- InChIKey
BUVOCOQOYNGMCO-UHFFFAOYSA-N- Molecular formula
- C17H13NO8S2
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.00825872
Names & identifiers
- Preferred name
- 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-
- IUPAC
- 4-benzamido-5-hydroxynaphthalene-1,7-disulfonic acid
- English name
- 4-(benzoylamino)-5-hydroxynaphthalene-1,7-disulphonic acid
- Molecular formula
- C17H13NO8S2
- Molecular weight
- 423.42
Names & synonyms
6361-49-5EINECS 228-838-41,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-DTXSID50884276RefChem:417821DTXCID5010237274-(Benzoylamino)-5-hydroxynaphthalene-1,7-disulphonic acid4-benzamido-5-hydroxynaphthalene-1,7-disulfonic acid4-(benzoylamino)-5-hydroxy-1,7-naphthalenedisulfonic acidSCHEMBL4649703SCHEMBL8627327SCHEMBL30818027
Show more names
4-Benzamido-5-hydroxy-1,7-naphthalenedisulfonic acid4-Benzoylamino-5-hydroxy-1,7-naphthalenedisulfonic acid5-Hydroxy-4-(benzoylamino)-1,7-naphthalenedisulfonic acid
BUVOCOQOYNGMCO-UHFFFAOYSA-NNS00043970AE-641/00787022
Database identifiers
- CAS
6361-49-5- PubChem CID
- 80708
- DTXSID
DTXSID50884276
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 779
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy- (6361-49-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-: INACTIVE
Applications
Uses4-Benzamido-5-hydroxynaphthalene-1,7-disulfonic acid [6361-49-5], N-benzoyl K acid, is produced by reacting purified K acid with benzoyl chloride in aqueous alkaline sodium carbonate solution at 35 – 40 ℃ for 18 h, followed by heating for 1 h at 90℃ to hydrolyze the O-benzoyl derivative (yield 80 %). It is used to produce C.I. Acid Red 133, C.I. Acid Red 157, and C.I. Mordant Red 21.
Upstream & downstream products
Downstream products
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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